Dunbrack R L, Gerloff D L, Bower M, Chen X, Lichtarge O, Cohen F E
Department of Cellular and Molecular Pharmacology, University of California at San Francisco 94143-0450, USA.
Fold Des. 1997;2(2):R27-42. doi: 10.1016/S1359-0278(97)00011-4.
In most fields of scientific endeavor, the outcomes of important experiments are not always known before the experiments are performed. But in protein structure prediction, algorithms are usually developed and tested in situations where the answers are known. In December 1996, the Second Meeting on the Critical Assessment of Techniques for Protein Structure Prediction (CASP2) was held in Asilomar, California to rectify this situation: protein sequences were provided in advance for which the experimental structure had not yet been published. Over 70 research groups provided bona fide predictions on 42 targets in four categories: comparative or 'homology' modeling, fold recognition or 'threading', ab initio structure predictions, and docking predictions. Since the previous CASP meeting in 1994, the role of fold recognition in structure prediction has increased enormously with the largest number of groups participating in this category. In this review, we highlight some of the important developments and give at least a qualitative sense of what kind of methods produced some of the better predictions.
在大多数科学研究领域,重要实验的结果在实验进行之前并不总是已知的。但在蛋白质结构预测中,算法通常是在答案已知的情况下开发和测试的。1996年12月,第二届蛋白质结构预测技术关键评估会议(CASP2)在加利福尼亚州阿西洛马举行,以纠正这种情况:提前提供了尚未公布实验结构的蛋白质序列。70多个研究小组对四类42个目标进行了真实预测:比较或“同源性”建模、折叠识别或“穿线法”、从头开始的结构预测以及对接预测。自1994年上一次CASP会议以来,折叠识别在结构预测中的作用随着参与该类别的小组数量最多而大幅增加。在这篇综述中,我们重点介绍了一些重要进展,并至少定性地说明了哪种方法产生了一些较好的预测结果。